tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid

C12H12O8 — CID 102386939

IUPACtricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid
SMILESO=C(O)C12CC3(C(=O)O)CC1(C(=O)O)CC3(C(=O)O)C2
InChIInChI=1S/C12H12O8/c13-5(14)9-1-10(6(15)16)3-12(9,8(19)20)4-11(10,2-9)7(17)18/h1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyQFEILPMKMWQBGA-UHFFFAOYSA-N
MW284.22 g/mol
LogP-0.13
Rot. Bonds4

About tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid

tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid (PubChem CID 102386939) has the molecular formula C12H12O8 and a molecular weight of 284.22 g/mol. Its IUPAC name is tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid.

Molecular Properties

Compound Nametricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid
PubChem CID102386939
Molecular FormulaC12H12O8
Molecular Weight284.22 g/mol
Exact Mass284.05
IUPAC Nametricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid
SMILESO=C(O)C12CC3(C(=O)O)CC1(C(=O)O)CC3(C(=O)O)C2
InChIInChI=1S/C12H12O8/c13-5(14)9-1-10(6(15)16)3-12(9,8(19)20)4-11(10,2-9)7(17)18/h1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyQFEILPMKMWQBGA-UHFFFAOYSA-N
XLogP-0.13
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid?
The IUPAC name of tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid (CID 102386939) is tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid.
What is the SMILES notation for tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid?
The canonical SMILES for tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid is O=C(O)C12CC3(C(=O)O)CC1(C(=O)O)CC3(C(=O)O)C2.
What is the InChIKey of tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid?
The InChIKey is QFEILPMKMWQBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O8/c13-5(14)9-1-10(6(15)16)3-12(9,8(19)20)4-11(10,2-9)7(17)18/h1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20).
What are the key properties of tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid?
tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid has a molecular weight of 284.22 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid is sourced from PubChem (CID 102386939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).